Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Naphthalene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Naphthalene SCHEMBL28888415 | 0.95 | HTT (0.49) | HTTKDM4EALDH1A1HPGDSMN1; SMN2 | |
| Naphthalene SCHEMBL28395606 | 0.95 | HTT (0.49) | HTTKDM4EALDH1A1HPGDSMN1; SMN2 | |
| Naphthalene SCHEMBL28397022 | 0.95 | HTT (0.49) | HTTKDM4EALDH1A1HPGDSMN1; SMN2 | |
| Acetic Acid SCHEMBL35015 | 0.90 | MEN1 (0.43) | PABPC1SMN1; SMN2MEN1KMT2AHSP90AA1 | |
| Phthalic Acid SCHEMBL29142295 | 0.88 | ALDH1A1 (0.37) | HTTPABPC1KDM4EALDH1A1HPGD | |
| Oxalic Acid SCHEMBL29142239 | 0.86 | SMN1; SMN2 (0.40) | HTTPABPC1ALDH1A1SMN1; SMN2MEN1 | |
| Acetic Acid SCHEMBL15170574 | 0.86 | MEN1 (0.46) | SMN1; SMN2MEN1KMT2AHSP90AA1 | |
| Bicarbonate SCHEMBL5032083 | 0.85 | MEN1 (0.41) | PABPC1SMN1; SMN2MEN1KMT2AHSP90AA1 | |
| Benzoic Acid SCHEMBL3848714 | 0.85 | CA2 (0.41) | HTTPABPC1KDM4EALDH1A1HPGD | |
| Benzoic Acid SCHEMBL3031636 | 0.85 | CA2 (0.41) | HTTPABPC1KDM4EALDH1A1HPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106187902-B | Ionic liquid containing alkyl naphthalene structure and preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2020-04-14 | — | — | CN | disclosed |